Analyte Name

N,O-Ditrityl (E)-Cefdinir-13C,15N2

Molecular Formula

13C C51 H41 15N2 N3 O5 S2

Molecular Weight

883.022

Accurate Mass

882.252

SMILES

OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)\C(=N\OC(c3ccccc3)(c4ccccc4)c5ccccc5)\c6cs[13c]([15NH]C(c7ccccc7)(c8ccccc8)c9ccccc9)[15n]6)C(=O)N12)C=C

InChI

InChI=1S/C52H41N5O5S2/c1-2-35-33-63-48-44(47(59)57(48)45(35)49(60)61)54-46(58)43(56-62-52(39-27-15-6-16-28-39,40-29-17-7-18-30-40)41-31-19-8-20-32-41)42-34-64-50(53-42)55-51(36-21-9-3-10-22-36,37-23-11-4-12-24-37)38-25-13-5-14-26-38/h2-32,34,44,48H,1,33H2,(H,53,55)(H,54,58)(H,60,61)/b56-43+/t44-,48-/m1/s1/i50+1,53+1,55+1

IUPAC

(6R,7R)-3-ethenyl-8-oxo-7-[[(2E)-2-[2-(trityl(15N)amino)-(213C,315N)1,3-thiazol-4-yl]-2-trityloxyiminoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

SIL Type

Carbon, Nitrogen

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat